3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide

C12H7BrClF2NO2S — CID 153410025

IUPAC3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(-c2cccc(F)c2F)ccc(Br)c1Cl
InChIInChI=1S/C12H7BrClF2NO2S/c13-8-5-4-7(12(10(8)14)20(17,18)19)6-2-1-3-9(15)11(6)16/h1-5H,(H2,17,18,19)
InChIKeyGRPPIGNVCFSYNP-UHFFFAOYSA-N
MW382.61 g/mol
LogP3.70
Rot. Bonds2

About 3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide

3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide (PubChem CID 153410025) has the molecular formula C12H7BrClF2NO2S and a molecular weight of 382.61 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide
PubChem CID153410025
Molecular FormulaC12H7BrClF2NO2S
Molecular Weight382.61 g/mol
Exact Mass380.90
IUPAC Name3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(-c2cccc(F)c2F)ccc(Br)c1Cl
InChIInChI=1S/C12H7BrClF2NO2S/c13-8-5-4-7(12(10(8)14)20(17,18)19)6-2-1-3-9(15)11(6)16/h1-5H,(H2,17,18,19)
InChIKeyGRPPIGNVCFSYNP-UHFFFAOYSA-N
XLogP3.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.61
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide
CID 153410014
1-Bromo-2-chloro-4-[2-(trifluoromethylsulfonyl)phenyl]benzene
CID 173335172
2-[(4-Bromophenyl)methyl]-4,6-dichlorobenzenesulfonamide
CID 69134197
3-Bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 153409995
3-Bromo-2-chloro-6-phenylbenzenesulfonamide
CID 153410000
3-Bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide
CID 153410005
3-Bromo-2-chloro-6-methylbenzenesulfonamide
CID 131538709

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide (CID 153410025) is 3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide is NS(=O)(=O)c1c(-c2cccc(F)c2F)ccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide?
The InChIKey is GRPPIGNVCFSYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF2NO2S/c13-8-5-4-7(12(10(8)14)20(17,18)19)6-2-1-3-9(15)11(6)16/h1-5H,(H2,17,18,19).
What are the key properties of 3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide?
3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide has a molecular weight of 382.61 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 153410025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).